Chemical ID: 7330658

CCC(c1ccc(cc1)C)NC(=O)CSc2nnc(o2)c3ccc(cc3)Cl
Chemical ID:
7330658
Name [?]:
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(p-tolyl)propyl]acetamide
SMILES [?]:
CCC(c1ccc(cc1)C)NC(=O)CSc2nnc(o2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H20ClN3O2S/c1-3-17(14-6-4-13(2)5-7-14)22-18(25)12-27-20-24-23-19(26-20)15-8-10-16(21)11-9-15/h4-11,17H,3,12H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,10,2,6,8,5,9,22,26,23,25,14,7,4,21,24,3,12,19,16,27,11,18,17,13,20,15/E:(4,5)(6,7)(8,9)(10,11)/rA:27cCCCCCCCCCCNCOCSCNNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s3;s11;d12;s12;s14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O2S
All Atoms:47
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:13.5631
Area:647.442
Solvation:-2.62297
Coulombic:-38.7814
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:401.911
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.2
LogP (Chemaxon):4.71

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